1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one

C12H12BrFN2O — CID 80582237

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2ccc(Br)cc2F)c1=O
InChIInChI=1S/C12H12BrFN2O/c1-2-15-5-6-16(12(15)17)8-9-3-4-10(13)7-11(9)14/h3-7H,2,8H2,1H3
InChIKeyDSLIGKFSPPYUSN-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.62
Rot. Bonds3

About 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one

1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one (PubChem CID 80582237) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one
PubChem CID80582237
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2ccc(Br)cc2F)c1=O
InChIInChI=1S/C12H12BrFN2O/c1-2-15-5-6-16(12(15)17)8-9-3-4-10(13)7-11(9)14/h3-7H,2,8H2,1H3
InChIKeyDSLIGKFSPPYUSN-UHFFFAOYSA-N
XLogP2.62
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one (CID 80582237) is 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one is CCn1ccn(Cc2ccc(Br)cc2F)c1=O.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one?
The InChIKey is DSLIGKFSPPYUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-2-15-5-6-16(12(15)17)8-9-3-4-10(13)7-11(9)14/h3-7H,2,8H2,1H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one?
1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one has a molecular weight of 299.14 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 80582237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).